SCHEMBL2605822

SCHEMBL2605822

CC(C)NC(=S)NC(=O)CC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
KMT2A Q03164 2/20 0.44
EPHX1 P07099 1/20 0.44
CTSD P07339 2/20 0.41
CTSK P43235 1/20 0.38
NPC1 O15118 3/20 0.38
EPHX2 P34913 2/20 0.38
RAB9A P51151 2/20 0.38
KEAP1 Q14145 3/20 0.37
NFE2L2 Q16236 3/20 0.37
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
P2RX7 Q99572 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2605730 0.98 HPGD (0.47) HPGDKMT2AEPHX1CTSDCTSK
SCHEMBL10172490 0.82 KMT2A (0.47) HPGDKMT2AEPHX1CTSDNPC1
SCHEMBL7882899 0.81 KMT2A (0.53) HPGDKMT2AEPHX1CTSDCTSK
SCHEMBL171834 0.81 KMT2A (0.50) HPGDKMT2AEPHX1CTSDNPC1
SCHEMBL7437533 0.80 HPGD (0.57) HPGDKMT2AEPHX1CTSDCTSK
SCHEMBL14045113 0.79 HPGD (0.44) HPGDKMT2AEPHX1CTSDNPC1
SCHEMBL14019861 0.78 EPHX1 (0.47) HPGDKMT2AEPHX1NPC1EPHX2
SCHEMBL14817499 0.78 HPGD (0.47) HPGDKMT2AEPHX1CTSDNPC1
SCHEMBL14019913 0.77 KMT2A (0.46) HPGDKMT2AEPHX1NPC1EPHX2
SCHEMBL10199651 0.75 KMT2A (0.45) HPGDKMT2AEPHX1NPC1EPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8907091-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-8404846-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2013-03-26 US disclosed
US-20120095234-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS Mirati Therapeutics, Inc. 2012-04-19 US disclosed
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors Mirati Therapeutics, Inc. 2009-11-19 US disclosed
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors Mirati Therapeutics, Inc. 2009-11-19 US disclosed
US-20090264440-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY Mirati Therapeutics, Inc. 2009-10-22 US disclosed
US-20090264440-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY Mirati Therapeutics, Inc. 2009-10-22 US disclosed
WO-2009026720-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS METHYLGENE INC. (CA) 2009-03-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120095234-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS MAP3K19, MAP3K9, MAP4K2 HPGD 1051/4885KMT2A 938/4885EPHX1 1408/4885
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors MAP3K19, MAP3K9, MAP4K2 HPGD 1051/4885KMT2A 938/4885EPHX1 1408/4885
US-20090264440-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET HPGD 3075/4885KMT2A 2353/4885EPHX1 2705/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.